4-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C

InChI

InChI=1S/C23H24N4O2S/c1-13(2)19-11-20-17(10-22(28)29-21(20)9-16(19)5)12-30-23-24-25-26-27(23)18-7-6-14(3)15(4)8-18/h6-11,13H,12H2,1-5H3